smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C[C@H](C=C(C)C(=O)O)C(=C)C 2356509251 IVZCQNFSZAFCLM-SECBINFHSA-N 166.220 2.396 30 1 AEEF C=C[C@@H](C/C=C\CCC)OC=O 238742036 GLNOXUBTLPASTG-GFVADAIESA-N 168.236 2.460 30 1 AEEF CC#CC=C1CC[C@@]2(CCCO2)O1 2356383906 DROVCHNAUMUBIQ-LLVKDONJSA-N 178.231 2.211 30 1 AEEF COCC[C@H]1CC=C(/C=N/O)CC1 26837094 RQFFGMOFTJNZNF-OHMLCJAVSA-N 183.251 2.209 30 1 AEEF CO[C@@H](C)C1=CC=C(/C=N/O)CC1 28246234 LHQPVZOJULFHKB-LBTPYSACSA-N 181.235 2.128 30 1 AEEF C/C=C/C#CC#C/C=C\CC(=O)CC 238758626 DIEUBWKHTZKPOS-DWQQYCHFSA-N 186.254 2.495 30 1 AEEF CC=CC=CC#CC=CCOC(C)=O 2356375527 GKUKTHQBDFSPNV-UHFFFAOYSA-N 190.242 2.241 30 1 AEEF C=C/C=C/C#CC#C/C=C/C 238733753 IJWBTDKZNPTVLE-YDFGWWAZSA-N 142.201 2.312 30 1 AEEF CC#Cc1nc2ccc(C(C)=O)cc2[nH]1 587953429 KRXRIKNAMLVNGA-UHFFFAOYSA-N 198.225 2.137 30 1 AEEF CO/N=C(/C)[C@@H]1CC=C(/C=N/O)CC1 26831451 ZHFKNCMSPIGQBN-CVZAGGFWSA-N 196.250 2.195 30 1 AEEF C[C@H]1C(=O)C=CC2=CC(=O)CC[C@@]21C 653688059 YRAHLOLDGWANES-QPUJVOFHSA-N 190.242 2.057 30 1 AEEF C=C(C)/C=C\[C@H]1C[C@@H](C)C(=O)O1 13462977 VOJBXZDIFIJUKD-KHTCFXRASA-N 166.220 2.070 30 1 AEEF endogenous,in-man CC/C(C)=C1\CC[C@@H](CN(C)C)C1=O 1626175 JDFJWHJOLFCREU-SPQRFVMMSA-N 195.306 2.254 30 1 AEEF C=CCCCN=CC=S 2356770930 LSOCANBMZWWPQI-UHFFFAOYSA-N 141.239 2.023 30 1 AEEF CCCc1ccc(N(O)C(C)=O)cc1 27657702 DQUJNOOTVDJICE-UHFFFAOYSA-N 193.246 2.381 30 1 AEEF C=CC(=C)C/C=C/C(C)(C)O 5439105 NOEQSPUVXRMJBW-SOFGYWHQSA-N 152.237 2.446 30 1 AEEF C=CC=CC#CC#CC=C1C=CCO1 2356660929 VUTHUFKTXIOUJH-UHFFFAOYSA-N 182.222 2.206 30 1 AEEF CC#C/C=C1\CC[C@@]2(CCCO2)O1 33830001 DROVCHNAUMUBIQ-IGLBNKAOSA-N 178.231 2.211 30 1 AEEF biogenic,in-vitro C#CC#CC=CC=CC=CCCCO 2356657313 BBQHIBVKECCLFB-UHFFFAOYSA-N 186.254 2.064 30 1 AEEF CC(C)=CCC1=CC(=O)C=C(C)C1=O 86051995 JYVIPMPFQGQYKW-UHFFFAOYSA-N 190.242 2.367 30 1 AEEF biogenic,in-vitro C=C/C=[N+](\C)C[C@H]1CC=CCC1 37866336 JBWDRSYKLIXPFB-UTEVDWOZSA-N 164.272 2.242 30 1 AEEF in-vitro C=C/C=C/C#CC#CC#C/C=C\C 86002188 KAGUESUDHDXNCN-XGXWUAJZSA-N 166.223 2.315 30 1 AEEF endogenous,in-man C#CCc1cn(C)c2c(O)cccc12 1857602674 HFKAWVNKXJJKEB-UHFFFAOYSA-N 185.226 2.060 30 1 AEEF CN(C)/C(CN=O)=N\c1ccccc1 169726207 XFDJDHXCOWSRQG-BENRWUELSA-N 191.234 2.045 30 1 AEEF C=C1C(=O)O[C@@H](C)C[C@@H]1C(C)C 45253839 HASUJXHUNWVJIM-IONNQARKSA-N 168.236 2.150 30 1 AEEF C=C1C[C@@]23CCC[C@@]2(CNC3)C1 299824065 GGEMOKIUKBLHJR-PHIMTYICSA-N 163.264 2.096 30 1 AEEF C=CCCCCOc1nccn1C 103244447 YOFGEYQFDYTHNB-UHFFFAOYSA-N 180.251 2.155 30 1 AEEF CC1=CCCC[C@@H]1[C@@H]1C=CC(=O)CO1 27311414 NHZGJIUNGUQCOS-RYUDHWBXSA-N 192.258 2.257 30 1 AEEF C[C@]12CCC[C@]3(CO3)[C@@H]1CCC(=O)C2 238786935 SSGIQECYLUATGW-UTUOFQBUSA-N 194.274 2.315 30 1 AEEF CC1(C)[C@@H](C#N)C1(Cl)Cl 103186928 YSQVCSWVMCTQEM-SCSAIBSYSA-N 164.035 2.340 30 1 AEEF C=CC=C(C)C#CC#CC#CC#CC 2356645359 MXSDTUSFHCZYSX-UHFFFAOYSA-N 178.234 2.152 30 1 AEEF CC=CC(=O)C=CCCC 2356579008 NNDBKUDJHXBMLB-UHFFFAOYSA-N 138.210 2.488 30 1 AEEF C=C/C=C(/C)C#CC#CC#CC#CC 238735979 MXSDTUSFHCZYSX-OWBHPGMISA-N 178.234 2.152 30 1 AEEF CNCC/C=C(\CC(C)C)C(C)=O 96178208 GMNUBHLUPCQHOO-IZZDOVSWSA-N 183.295 2.157 30 1 AEEF C=CC[C@]12CC(=O)CC[C@H]1CC(=O)C2 1616117 ZMMXPOITZACTMG-JOYOIKCWSA-N 192.258 2.281 30 1 AEEF CC(=O)C=C(C)Nc1cccc(O)c1 2356319976 XHLASXCUFACIRT-UHFFFAOYSA-N 191.230 2.297 30 1 AEEF C=C(C)C(=O)OCC(C)=CC 2356648409 ZHJOZVKIWDMOFL-UHFFFAOYSA-N 154.209 2.072 30 1 AEEF C=C1CC[C@H]2[C@@H]1COC2(C)C 15274266 PSYUARCNIZCTFI-BDAKNGLRSA-N 152.237 2.378 30 1 AEEF endogenous,in-man C=CC[C@H]1CCCC(=O)N2CCC[C@@H]12 13813323 BCLCSUZENONJBH-QWRGUYRKSA-N 193.290 2.354 30 3 AEEF C[C@@H]1CCC[C@@]2(C)CC(=O)C=C[C@@]12O 238755722 RTYOTMKUFIVWRN-ADEWGFFLSA-N 194.274 2.073 30 1 AEEF C=C[C@](C)(O)[C@@H]1C[C@H]1C(C)C 2356532097 QVCSRKHFGTZDKO-AEJSXWLSSA-N 154.253 2.216 30 1 AEEF C=CC(C)(C)[C@@H]1C=C(C)C(=O)O1 15120969 UPPBLFBZDBKTNR-QMMMGPOBSA-N 166.220 2.070 30 1 AEEF CC1(C)[C@@H]2CC[C@]1(C)/C(=N\N)C2 102996837 PEGOJPQIBGLFFN-DXPYRBBVSA-N 166.268 2.147 30 1 AEEF O=C1C=Cc2noc3cccc1c23 1619573 WCUMLMAZEJZTNF-UHFFFAOYSA-N 171.155 2.037 30 1 AEEF CCCC=CC#CC=CCOC(C)=O 2356444078 JATNGBVNDFMUTQ-UHFFFAOYSA-N 192.258 2.465 30 1 AEEF CN(C)/N=C\c1ccc(Cl)cc1 31571263 JWRGEPOIPOSDQN-XFFZJAGNSA-N 182.654 2.236 30 1 AEEF C[S@@](=O)CCCCCCCC#N 535384557 VRYSUGWFYFXWLB-GFCCVEGCSA-N 187.308 2.229 30 1 AEEF in-vitro C=C1C[C@@H](c2ccc(F)cc2)OC1=O 38251636 IEFYWLKUIUAKDJ-JTQLQIEISA-N 192.189 2.370 30 1 AEEF CO/N=C/C(C)=C/c1ccco1 26983904 HQJJMMHCRHATQD-NBANWCDVSA-N 165.192 2.315 30 1 AEEF CC=CC=CCC[C@@H]1NCC[C@H]2O[C@@H]12 2356801629 QTCXZYCGYKPCGV-TUAOUCFPSA-N 193.290 2.028 30 1 AEEF CCCCCCCC=CC(N)=O 2356827213 HOHPPAHUSJCHHL-UHFFFAOYSA-N 169.268 2.388 30 1 AEEF O=C1C=C[C@H](CC2=CCCCC2)OC1 27317160 HUCMRLOEJJWHGB-GFCCVEGCSA-N 192.258 2.401 30 1 AEEF C=CC=CC=CC#CC#CC#CC#CC 2356684770 XOSFRTWHZPECCM-UHFFFAOYSA-N 190.245 2.318 30 1 AEEF C=C1C[C@@H]2CC(O)C[C@@H](C1)C2 1618169 ZOEABCSXGLYIIV-IUCAKERBSA-N 152.237 2.114 30 1 AEEF C=Cc1ccc(N(O)C(C)=O)cc1 27722514 IBVSPWYCVGZMGT-UHFFFAOYSA-N 177.203 2.072 30 1 AEEF C=C/C=C/C=C\C#CC#CC#CC 95919123 AJWRNFIZKHPOHC-STRRHFTISA-N 166.223 2.315 30 1 AEEF biogenic,in-vitro C[C@@]1(S)CCCS1 32163937 SVPXVYCUWKYTRA-YFKPBYRVSA-N 134.269 2.159 30 1 AEEF endogenous,in-man CN(Cc1ccccc1)C(=N)CS 169328503 NKTBXHKSUAECAM-UHFFFAOYSA-N 194.303 2.025 30 1 AEEF CC1=CC(=O)C[C@@]2(C)CCC(=O)C[C@H]12 2356416438 UCCYFCZZQRJAPO-VXGBXAGGSA-N 192.258 2.281 30 1 AEEF C/C=C/C#CC#C/C=C/CC(=O)CC 238758635 DIEUBWKHTZKPOS-SALZOXGJSA-N 186.254 2.495 30 1 AEEF CC=CC#CC#CC#CC#CC=CC 2356345133 WNKUNTYSRYMVDG-UHFFFAOYSA-N 178.234 2.152 30 1 AEEF CC1=C[C@@H]2CC(=O)C[C@@H](C)[C@@H]2CC1=O 14823203 IAZCELYLVPKJIP-ZOFUNIGCSA-N 192.258 2.137 30 1 AEEF CCO/N=C/c1ccc(OC)cc1 72182799 YGSHWMITAKRSTO-DHZHZOJOSA-N 179.219 2.066 30 1 AEEF C=C1C=CC(=O)O[C@@H]1/C=C/C=C/C 40863557 KBPTWVPQNGGLGO-MGCXLJFFSA-N 176.215 2.157 30 1 AEEF CCC/C=C/C(=O)SC 56871186 ICJXHMGTNYBJIK-AATRIKPKSA-N 144.239 2.232 30 1 AEEF C=C(C)C=CC 2356710741 RCJMVGJKROQDCB-UHFFFAOYSA-N 82.146 2.139 30 1 AEEF C#CCOCc1cc(C)cc(C)c1 957806288 AQMRBZHNIOZEMF-UHFFFAOYSA-N 174.243 2.453 30 1 AEEF CC/C=C/C=C\C#CC#C/C=C\CO 238787784 YCXSBVALLBAGMY-PJWZPHFNSA-N 186.254 2.064 30 1 AEEF C=CCCC(=O)CC(=CCC)C(=O)O 2356807088 WCWOFHVXAKLKQU-UHFFFAOYSA-N 196.246 2.333 30 1 AEEF C=C(C)C1=CC[C@@](C)(O)CC1 14588441 ZAGYKNAXCCJVSM-SNVBAGLBSA-N 152.237 2.424 30 1 AEEF endogenous,in-man C[C@]12CCC[C@]3(CO3)[C@H]1CCC(=O)C2 2356395594 SSGIQECYLUATGW-TUAOUCFPSA-N 194.274 2.315 30 1 AEEF C=C1C[C@@]23CC=CC[C@]2(CNC3)C1 299827809 IAOTWDIBROTWOP-VXGBXAGGSA-N 175.275 2.262 30 1 AEEF CCCC=C(C=CC(=O)OC)C(C)=O 2356486378 PEWZIEQJXSUCMC-UHFFFAOYSA-N 196.246 2.031 30 1 AEEF CCC(=O)C=CC=C[C@@H](C)[C@H](O)CC 2356501422 ZRSXBEYTFQCFGN-ZYHUDNBSSA-N 196.290 2.485 30 1 AEEF C=C1CC[C@H]2[C@H]1COC2(C)C 15274265 PSYUARCNIZCTFI-IUCAKERBSA-N 152.237 2.378 30 1 AEEF endogenous,in-man CC1(C)/C(=N\O)[C@]2(C#N)CC[C@@H]1C2 102955189 NUXOVZRBOZONAS-RAKPTTPHSA-N 178.235 2.166 30 1 AEEF CC#Cc1nc2cccc(C)c2[nH]1 587953581 OAQXDGFIGFPDNX-UHFFFAOYSA-N 170.215 2.243 30 1 AEEF S=CC=NCCc1ccccc1 2356358396 OXKMPPAKLSXLDI-UHFFFAOYSA-N 177.272 2.300 30 1 AEEF CCCC1=C(O)S[C@H](C)C1=O 101032700 ZFRLWZOHXIMRNA-RXMQYKEDSA-N 172.249 2.261 30 1 AEEF C#CCOc1ccc(CC=C)cc1O 299868691 SFCWGXQKDZHGNT-UHFFFAOYSA-N 188.226 2.133 30 1 AEEF CCC=CC[C@H]1[C@H](CC=O)CC[C@H]1O 2356776983 ZTBYPIBZNSMFBV-SDDRHHMPSA-N 196.290 2.319 30 1 AEEF C=C1CCC[C@H]2O[C@H](OC)CC[C@H]12 17176477 GGLLEFPUPGJBBI-MXWKQRLJSA-N 182.263 2.494 30 1 AEEF COCC[C@@H](C#N)c1ccc(F)cc1 95872464 DYWKXIDEFYXOQM-JTQLQIEISA-N 193.221 2.469 30 1 AEEF C#CC#CCCCCC=C 200101081 ZFYQMYQLRUKRHY-UHFFFAOYSA-N 132.206 2.369 30 1 AEEF C=C(C)[C@]1(O)CCC=C(C)C1 14588381 WQABFSITNCYDBD-JTQLQIEISA-N 152.237 2.424 30 1 AEEF CO[C@@H](C)C1=CCC(/C=N/O)=CC1 28244030 ODUYQBRJJXCYQT-LBTPYSACSA-N 181.235 2.128 30 1 AEEF C=CC(C)=CC#CC#CC#CC#CC 2356616680 CLSSFHHVZMMLCA-UHFFFAOYSA-N 178.234 2.152 30 1 AEEF C=C(C)[C@@]1(OC)CCC(C)=CC1=O 14487912 BRTZDCQNZKKULS-NSHDSACASA-N 180.247 2.257 30 1 AEEF CCCCCCn1ccnc1/C=N/O 103250602 FKAJXXJCIZXWIU-FMIVXFBMSA-N 195.266 2.272 30 1 AEEF C=C[C@](C)(O)[C@@H]1C[C@@H]1C(C)C 2356532099 QVCSRKHFGTZDKO-BBBLOLIVSA-N 154.253 2.216 30 1 AEEF C=C1C(=O)[C@H]2C[C@@H]1[C@H]1CCC[C@@H]21 28395725 GLPFAIQMLYYMEK-JXUBOQSCSA-N 162.232 2.178 30 1 AEEF S=C/C=N/Cc1ccccc1 70455107 RZKDTKSGADGQJJ-UXBLZVDNSA-N 163.245 2.257 30 1 AEEF biogenic,in-vitro C=C/C=C/C=C/C#CC#CC#CC 85541192 AJWRNFIZKHPOHC-JEGFTUTRSA-N 166.223 2.315 30 1 AEEF endogenous,in-man C=C1C(=O)O[C@H]2CC[C@@H](C)CC[C@@H]12 34449477 YPNHSXBOWJTVIS-HGNGGELXSA-N 180.247 2.294 30 1 AEEF C=CC=CC#CC#CC#CC=CC 2356522527 KAGUESUDHDXNCN-UHFFFAOYSA-N 166.223 2.315 30 1 AEEF C=C1CCC[C@H]2O[C@@H](OC)CC[C@H]12 17176478 GGLLEFPUPGJBBI-GMTAPVOTSA-N 182.263 2.494 30 1 AEEF C#CCN(C)CC(=C)c1ccccc1 299851220 BRLIOTJQBXTUFB-UHFFFAOYSA-N 185.270 2.265 30 1 AEEF C=CCCCC=CCOC(C)=O 2356329049 RDOHPVPONNHSPH-UHFFFAOYSA-N 168.236 2.462 30 1 AEEF C=C1C(=O)O[C@@H](c2ccccc2)[C@H]1C 40981256 ZIWATCVURPQWQF-GZMMTYOYSA-N 188.226 2.477 30 1 AEEF N#C[C@@]12CCCC(=O)[C@@H]1[C@H]1CCC[C@H]12 1651509 ODLMURDULMFUSB-BSJXLVFVSA-N 189.258 2.295 30 1 AEEF C=C(C)C=C[C@@H]1C[C@H](C)C(=O)O1 2356599348 VOJBXZDIFIJUKD-DTWKUNHWSA-N 166.220 2.070 30 1 AEEF C(#CC1=CCCCC1)CNCC1CC1 203471446 BRKRZCNJFYYTEI-UHFFFAOYSA-N 189.302 2.490 30 3 AEEF C=C[C@H]1C=C(/C=N/O)CCC1 26832785 KDABFCPUPALDOK-RYGSOJJJSA-N 151.209 2.359 30 1 AEEF C=C1C[C@@]2(C[C@@H]3CC[C@@H]2C3)OC1=O 100754635 NNVWGBFEXBVTQH-KKZNHRDASA-N 178.231 2.048 30 1 AEEF CC#Cc1cc2ccccc2c(=O)o1 238739947 OSTJORVQJLDDPC-UHFFFAOYSA-N 184.194 2.164 30 1 AEEF CC(C)=CCC1=CCC(=O)CC1=O 103562755 CAIXHVBUTFNGQL-UHFFFAOYSA-N 178.231 2.201 30 1 AEEF biogenic,in-vitro CC#CC#CC=C1C=C[C@]2(CC=CO2)O1 2356528792 IBELVOGDVQQPMZ-ZDUSSCGKSA-N 198.221 2.114 30 1 AEEF CC1(C)[C@H]2CC[C@@]1(C)/C(=N\N)C2 100098091 PEGOJPQIBGLFFN-QWCOMIMBSA-N 166.268 2.147 30 1 AEEF CC12[C@@H]3CC(C[C@H]31)[C@@]2(C)CC=O 100781109 WTFMBIIXZCPCMT-MOUVCFIVSA-N 164.248 2.258 30 1 AEEF endogenous,in-man C=CC[C@@H]1CCCC(=O)N2CCC[C@H]12 13813326 BCLCSUZENONJBH-GHMZBOCLSA-N 193.290 2.354 30 3 AEEF CC(C)/C=C1\CC[C@H](CN(C)C)C1=O 1625808 NDYFREKJASARRR-PFEDMVJOSA-N 195.306 2.110 30 1 AEEF C=CC(=C\C)/N=C(\C)S 100997704 QKFCUFWQYYIKOT-FNORWQNLSA-N 141.239 2.424 30 1 AEEF C#Cc1cc2c3c(cccc3n1)CC2 587214790 YVYRYILTTMBGTR-UHFFFAOYSA-N 179.222 2.315 30 1 AEEF C/C(=N\C(C)C)C1=C(O)CCC1=O 101731763 BDBTWSUKYVIKSW-YRNVUSSQSA-N 181.235 2.031 30 1 AEEF C[C@H]1CCC[C@]2(C)CC(=O)C=C[C@]12O 141884939 RTYOTMKUFIVWRN-WCQGTBRESA-N 194.274 2.073 30 1 AEEF CC(C)NC=C1CCCCC1=O 2356448528 GHUJWMDOSKOLFQ-UHFFFAOYSA-N 167.252 2.011 30 1 AEEF O=C1CCC[C@@H](C2=CCCCC2=O)C1 3965613 ALMOMJDOWMBEBN-SECBINFHSA-N 192.258 2.425 30 1 AEEF CC#Cc1nc2cc(C)cc(F)c2[nH]1 587952815 CAGAZKLXRJKOQS-UHFFFAOYSA-N 188.205 2.382 30 1 AEEF CC/C=C/C=C/C#CC#C/C=C\CO 238787787 YCXSBVALLBAGMY-SZTWAQLWSA-N 186.254 2.064 30 1 AEEF CC(C)(C)NC=C1CCCCC1=O 2356308473 VNVVHTSNHZGQFL-UHFFFAOYSA-N 181.279 2.402 30 1 AEEF CCCCC(=O)C1=CCCN(C)C1 27641379 DRRLNTHNTQCASL-UHFFFAOYSA-N 181.279 2.008 30 1 AEEF C=C1C=C[C@H](C(C)C)C[C@@H]1[N+](=O)[O-] 14614126 VJPVONZUZIQQIH-UWVGGRQHSA-N 181.235 2.420 30 1 AEEF endogenous,in-man C=C[C@@H]1CC=C(/C=N/O)CC1 28246245 ZSAZSZBFLSUQJY-RYGSOJJJSA-N 151.209 2.359 30 1 AEEF C=CC[C@H](O)C=CC#CC#CCCC 2356472532 AAOBYDYOAZKODR-ZDUSSCGKSA-N 188.270 2.287 30 1 AEEF O=C1C=CN2c3ccccc3CC[C@@H]2C1 22622 LNTWPSKEEYNUKK-LLVKDONJSA-N 199.253 2.294 30 1 AEEF in-vivo C=C1[C@@H]2CC[C@@]1(C)OC[C@H]2C 140996670 MYWZEIPXJWLRJT-SZEHBUNVSA-N 152.237 2.378 30 1 AEEF C=C1CC[C@H]2OC[C@@H]1C2(C)C 15120099 FCTMDYJWWVBWKQ-DTWKUNHWSA-N 152.237 2.378 30 1 AEEF C=C(CCOC(=O)C(C)=CC)C(C)=O 2356412799 BYOAHAKIXHJNTC-UHFFFAOYSA-N 196.246 2.031 30 1 AEEF CC1=CC(=O)C[C@@H](C)[C@@]12CCC(=O)C2 14823477 OGDKSKNHHSXJNA-BXKDBHETSA-N 192.258 2.281 30 1 AEEF endogenous,in-man C=C1CC[C@@H]2[C@H]1COC2(C)C 15274267 PSYUARCNIZCTFI-DTWKUNHWSA-N 152.237 2.378 30 1 AEEF endogenous,in-man CC=CC=CCC[C@@H]1NCC[C@@H]2O[C@H]12 2356801627 QTCXZYCGYKPCGV-SDDRHHMPSA-N 193.290 2.028 30 1 AEEF C=C[C@@H]1[C@H]2C(C)(C)OC[C@@]12C 13373078 HHDOWVHECSBICN-WEDXCCLWSA-N 152.237 2.234 30 1 AEEF C=C1C(=O)O[C@H](c2ccccc2)[C@H]1C 40981260 ZIWATCVURPQWQF-KWQFWETISA-N 188.226 2.477 30 1 AEEF C=C(CN(N)CC)c1ccc(F)cc1 87660402 ZEFXWMDOGGTHGS-UHFFFAOYSA-N 194.253 2.035 30 1 AEEF C=C/C=C/C=C/C#CC#CC#CC#CC 238778009 XOSFRTWHZPECCM-JEGFTUTRSA-N 190.245 2.318 30 1 AEEF C[C@@H]1CCC=C2C(=O)CC(=O)C[C@]21C 73240440 QBWXJIDMACMDQA-PELKAZGASA-N 192.258 2.281 30 1 AEEF C/C=C/c1ccc(N(O)C(C)=O)cc1 27719295 WRGOJXABMMAUHH-ONEGZZNKSA-N 191.230 2.462 30 1 AEEF C/C=C/C=C/C=C1C(=O)CCCC1=O 169323967 ZDLXROAQAKVYGV-MQQKCMAXSA-N 190.242 2.367 30 1 AEEF CCC(=O)C(C)=C[C@H](C)[C@@H](O)CC 2356690431 WYSTUSNFDIYLBM-WPRPVWTQSA-N 184.279 2.319 30 1 AEEF C=CCCC/C=C/COC(C)=O 2026532 RDOHPVPONNHSPH-BQYQJAHWSA-N 168.236 2.462 30 1 AEEF C=C/C=C\C#CC#CC#C/C=C/C 95919124 KAGUESUDHDXNCN-GUBXDBFYSA-N 166.223 2.315 30 1 AEEF biogenic,in-vitro C#CC#CC#CC=CCOC(C)(C)C=C 2356509025 ZGQBZTXCGDYHRE-UHFFFAOYSA-N 198.265 2.164 30 1 AEEF CC1(C)C=C(CS)C(C)(C)N1O 5887436 ZRRNXPDUICGIEB-UHFFFAOYSA-N 187.308 2.105 30 1 AEEF in-vivo C=C1CCC[C@H]2O[C@H](OC)CC[C@@H]12 17176475 GGLLEFPUPGJBBI-AXFHLTTASA-N 182.263 2.494 30 1 AEEF C=C(C)C#CCNCc1ccccc1 203471602 FPKOKQSNLLFZGS-UHFFFAOYSA-N 185.270 2.356 30 3 AEEF C=C1CC[C@]2(C(C)C)C[C@]12O 34115299 GJJYQFPADNKBDY-ZJUUUORDSA-N 152.237 2.114 30 1 AEEF Cc1ccoc1C[C@H]1OC1(C)C 33951253 BVTAIXWVSMPSFL-SECBINFHSA-N 166.220 2.308 30 1 AEEF biogenic,in-vitro C[C@@H]1CCC[C@]2(C)CC(=O)C=C[C@@]12O 2356742676 RTYOTMKUFIVWRN-YUSALJHKSA-N 194.274 2.073 30 1 AEEF CC(=O)O[C@@H](CC#N)c1ccccc1 34455200 IOINVUDAFYPKGX-NSHDSACASA-N 189.214 2.204 30 1 AEEF CC[C@H](C)[C@@H]1O[C@@]12C=NCCC2 200680147 XUYFFOISFZIFIT-GUBZILKMSA-N 167.252 2.035 30 1 AEEF CCC#CC#CCCC 86046904 CSPPPXQLLNDWIT-UHFFFAOYSA-N 120.195 2.203 30 1 AEEF C=C1C[C@]2(C[C@@H]3CC[C@@H]2C3)OC1=O 100754637 NNVWGBFEXBVTQH-FXPVBKGRSA-N 178.231 2.048 30 1 AEEF CCC(=O)/C(C)=C/[C@@H]1CCCCN1C 13554170 GTWYJRCFEOWTHB-USKTWTLRSA-N 195.306 2.396 30 1 AEEF CC(C)CN=Cc1ccco1 2356806249 VPYYBUQTJFKWHQ-UHFFFAOYSA-N 151.209 2.355 30 1 AEEF C=C1C[C@]2(C[C@H]3CC[C@H]2C3)OC1=O 253633797 NNVWGBFEXBVTQH-ATZCPNFKSA-N 178.231 2.048 30 1 AEEF C=CC(=C)CCC=C(C)CO 2356614798 IEVYLQISZQFFGA-UHFFFAOYSA-N 152.237 2.447 30 1 AEEF C=C/C=[N+](\C)C[C@@H]1CC=CCC1 37866337 JBWDRSYKLIXPFB-LWMMSDEHSA-N 164.272 2.242 30 1 AEEF in-vitro CCC=CC[C@@H]1[C@@H](O)CC[C@H]1CC=O 2356776986 ZTBYPIBZNSMFBV-SRVKXCTJSA-N 196.290 2.319 30 1 AEEF C=C/C=C\C#CC#C/C=C1/C=CCO1 13480068 VUTHUFKTXIOUJH-ROQQUSOJSA-N 182.222 2.206 30 1 AEEF CC#Cc1nc2cc(F)cc(F)c2[nH]1 587953242 HXLHKWCLWHIYTJ-UHFFFAOYSA-N 192.168 2.213 30 1 AEEF C=C[C@](C)(O)[C@H]1C[C@@H]1C(C)C 2356532102 QVCSRKHFGTZDKO-UTLUCORTSA-N 154.253 2.216 30 1 AEEF N#Cc1cccc2ccccc2c1=O 169352512 WLMVKYKMLUCLMD-UHFFFAOYSA-N 181.194 2.072 30 1 AEEF CC1=C(C)/C(=N/O)CCC1 29052292 WTZXSELQBLEEBO-CMDGGOBGSA-N 139.198 2.337 30 1 AEEF Cc1ccc(C=C2C(=O)C=CC2=O)cc1 72122822 HKHZJRLFCJEQJO-UHFFFAOYSA-N 198.221 2.086 30 1 AEEF C=C1C=C[C@@H](C(=O)O)CC1(C)C 238738163 IWUPUYREUUUUHF-MRVPVSSYSA-N 166.220 2.230 30 1 AEEF C=C[C@@](C)(O)[C@H]1C[C@@H]1C(C)C 238760513 QVCSRKHFGTZDKO-KXUCPTDWSA-N 154.253 2.216 30 1 AEEF C=CC[C@H]1[C@@H](COC(C)=O)C1(C)C 2356787446 UVQOBCBQCOVBIV-VHSXEESVSA-N 182.263 2.398 30 1 AEEF C=C[C@H]1O[C@@H]1[C@@H]1C=CCC=CC1 39168218 SAIFUMPWZOSPHE-HBNTYKKESA-N 162.232 2.462 30 1 AEEF CC(C)(C)/[N+]([O-])=C\c1ccco1 28873918 NUSATAQWSPSFJU-JXMROGBWSA-N 167.208 2.007 30 1 AEEF CC#Cc1nc2ccc(C)cc2[nH]1 587952818 CDAXIHJWUNIGRL-UHFFFAOYSA-N 170.215 2.243 30 1 AEEF C=C/C=C\C#CC#C/C=C1\C=CCO1 238748931 VUTHUFKTXIOUJH-ANKWKMGHSA-N 182.222 2.206 30 1 AEEF C=C1[C@@H]2C[C@@H](C[C@@H]2CO)C1(C)C 85546674 KHOKUVVUWPENMI-BBBLOLIVSA-N 166.264 2.217 30 1 AEEF biogenic,in-vitro C=C[C@@H](CC=CCCC)OC=O 2356478482 GLNOXUBTLPASTG-JTQLQIEISA-N 168.236 2.460 30 1 AEEF CC=Nc1ccccc1N(C)C=O 2356791191 ILNUQOOAYAAWSD-UHFFFAOYSA-N 176.219 2.001 30 1 AEEF CN1c2ccccc2S[C@@H]1S 45245637 FGLXXEJCCUBWIA-QMMMGPOBSA-N 183.301 2.442 30 1 AEEF CO[C@H](C)C1=CCC=C(/C=N/O)C1 28243992 PVDRYLLJGUTMGB-XAPLUZPNSA-N 181.235 2.128 30 1 AEEF in-vitro CC(C)C[C@@H](C(=O)O)[C@@H](C)S 263621045 SKKLDDQIMOJPLA-RNFRBKRXSA-N 176.281 2.052 30 1 AEEF in-vitro C/C=C\C#CC#C/C=C/CC(=O)CC 238758612 DIEUBWKHTZKPOS-OFSYMQIBSA-N 186.254 2.495 30 1 AEEF CC1=C/C(=N\O)C(=O)c2ccccc21 238749435 XXTOXNCVZCTLQI-ZRDIBKRKSA-N 187.198 2.116 30 1 AEEF O=C1C=C(O)C[C@H]1Cc1ccccc1 653856841 MUZSAHAQLBVTPM-SNVBAGLBSA-N 188.226 2.260 30 1 AEEF C#CCC[C@H]1C=C(Cl)CCO1 28821711 URAUPSBJWFKPPN-VIFPVBQESA-N 170.639 2.311 30 1 AEEF C=C1[C@H]2CC[C@@](C=O)([C@@H]2OC)C1(C)C 2356682408 LDMLBMTXQQQRGS-CKYFFXLPSA-N 194.274 2.193 30 1 AEEF N=C(CCS)NCc1ccccc1 169330050 CXPYWSRKFRMHBT-UHFFFAOYSA-N 194.303 2.073 30 1 AEEF ON=C(C=C1CCC1)C(F)(F)F 2356831574 JQOLFHOYSMXTCP-UHFFFAOYSA-N 179.141 2.489 30 1 AEEF CCC/C=C1\CC[C@@H](CN(C)C)C1=O 1631979 SOXCMVNDOCGHOP-RUYJGKKWSA-N 195.306 2.254 30 1 AEEF CC[C@@H](C(C)C)[C@H]1O[C@@H]1C(C)(C)O 15167080 GTFQSMIFDNFPHN-AEJSXWLSSA-N 186.295 2.207 30 1 AEEF CC/C=C\C[C@@H]1[C@@H](O)CC[C@@H]1CC=O 85491615 ZTBYPIBZNSMFBV-HFQKVHLASA-N 196.290 2.319 30 1 AEEF biogenic,in-vitro C=C(C)C=C[C@@H](CO)C(=C)C 2356486220 KBVFHOKBXAUWHI-JTQLQIEISA-N 152.237 2.303 30 1 AEEF C=CCC[C@]1(C)SC(=O)[C@@H](C)C1=O 169719214 SYTASIWJJGUMGJ-XVKPBYJWSA-N 198.287 2.190 30 1 AEEF C=C1C(=O)O[C@H]2CCCCC[C@@H]12 39223579 UQFLAPJYSAEDKQ-IUCAKERBSA-N 166.220 2.048 30 1 AEEF C=CC(C)=CC[C@H](O)C(=C)C 2356416433 TYDDWHVJHGIJCW-JTQLQIEISA-N 152.237 2.446 30 1 AEEF CC(=O)/C=C\[C@H]1C[C@@H]2C=C[C@H]1C2 33849356 PJNSTJMFXBGTIM-RRFDEMMASA-N 162.232 2.344 30 1 AEEF C=C1C(=O)O[C@@H](C)C[C@H]1C(C)C 45253843 HASUJXHUNWVJIM-CBAPKCEASA-N 168.236 2.150 30 1 AEEF C=CC[N+](C)(C)c1ccc(O)cc1 3201452 NPKZOJFDTGHDKU-UHFFFAOYSA-O 178.255 2.145 30 1 AEEF C=C(C)[C@H]1CC[C@@](C)(O)[C@H](C#N)C1 5601377 XMSSLEJRRCPSEN-GARJFASQSA-N 179.263 2.253 30 1 AEEF O=C1C=C(O)C[C@@H]1Cc1ccccc1 653856840 MUZSAHAQLBVTPM-JTQLQIEISA-N 188.226 2.260 30 1 AEEF C=C1C=C[C@@H](C(C)C)C[C@H]1[N+](=O)[O-] 14614125 VJPVONZUZIQQIH-NXEZZACHSA-N 181.235 2.420 30 1 AEEF endogenous,in-man CCC/C=C(/C=C/C(=O)OC)C(C)=O 139118282 PEWZIEQJXSUCMC-BGDUUMEQSA-N 196.246 2.031 30 1 AEEF C=C1CC[C@@H]2[C@@H]1COC2(C)C 15274268 PSYUARCNIZCTFI-RKDXNWHRSA-N 152.237 2.378 30 1 AEEF endogenous,in-man CC[P+](C)(C)CC 59581721 RBECNRCKEQGFRU-UHFFFAOYSA-N 119.168 2.303 30 1 AEEF C=C1C=C[C@H](C(=O)O)CC1(C)C 2356529501 IWUPUYREUUUUHF-QMMMGPOBSA-N 166.220 2.230 30 1 AEEF Cc1cc(C)c2c(c1)/C(=N/O)CCN2 45194089 NVHQFMRXBCOQIU-JLHYYAGUSA-N 190.246 2.297 30 1 AEEF C=C[C@@]1(C)SC(=O)C(C)=C1O 101442548 MFDQNGORLCIWFD-MRVPVSSYSA-N 170.233 2.037 30 1 AEEF C#CC#C/C=C/C=C/C=C/CCCO 238775524 BBQHIBVKECCLFB-SUTYWZMXSA-N 186.254 2.064 30 1 AEEF S=CC=Nc1ccccc1 2356644304 AUOICDSHGBLMFV-UHFFFAOYSA-N 149.218 2.389 30 1 AEEF C=C[C@H](CC=CCCC)OC=O 2356478483 GLNOXUBTLPASTG-SNVBAGLBSA-N 168.236 2.460 30 1 AEEF O=C[C@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1 100050374 USPJNXWHVJTDJW-NZHYYXIDSA-N 164.248 2.258 30 1 AEEF CC/C=C/[C@@]1(C)SC(=O)C=C1O 101450538 CFSQLTVSOWPOHH-XNPJLODASA-N 184.260 2.427 30 1 AEEF C=CCC[C@@]1(C)SC(=O)[C@H](C)C1=O 169719215 SYTASIWJJGUMGJ-GMSGAONNSA-N 198.287 2.190 30 1 AEEF C=CCCCN1C=CN(C)/C1=C\N=O 377848907 AYTZATKXALOHAK-MDZDMXLPSA-N 193.250 2.237 30 1 AEEF C=C/C=C\C#CC#C/C=C/C 85976872 IJWBTDKZNPTVLE-GUBXDBFYSA-N 142.201 2.312 30 1 AEEF C=C(C)[C@@H]1CCCC1=CC(=O)OC 2356599649 HZZBTVOUGFOQSZ-JTQLQIEISA-N 180.247 2.462 30 1 AEEF C/C=C/[C@@]1(C)SC(=O)C(C)=C1O 101124269 AIYZYVOEVDBZRS-XNPJLODASA-N 184.260 2.427 30 1 AEEF CC=CC#CC#CC=C[C@@H](O)CCC 2356511312 GEENZQOWBUUIOA-ZDUSSCGKSA-N 188.270 2.287 30 1 AEEF C=C(C)[C@@H]1C=C=C(C)C(=O)C1 2356861493 UJPMAHOMNAITRS-SECBINFHSA-N 148.205 2.253 30 1 AEEF CC1(C)[C@@H]2CC[C@@]1(C)C(=N\O)/C2=N\O 18113927 JCFJSQZXNOMXCP-HWJSTGRMSA-N 196.250 2.103 30 1 AEEF C=C(C)/C=C/[C@@H]1C[C@H](C)C(=O)O1 196811101 VOJBXZDIFIJUKD-HYNBTVFTSA-N 166.220 2.070 30 1 AEEF C=CCC=CCCC(=O)OC 2356320636 WUNJOFRDOLDAOY-UHFFFAOYSA-N 154.209 2.072 30 1 AEEF C=CCN(C)CC#Cc1ccccc1C 203463713 FMTQQNAKEVRPAJ-UHFFFAOYSA-N 199.297 2.464 30 3 AEEF C=C/C=C\C=C\C(=O)/C=C/C 28102963 XNGOXDRGCIXAQS-JIDSLHQUSA-N 148.205 2.430 30 1 AEEF CCC(=O)C=CC=C[C@@H](C)[C@@H](O)CC 2356501421 ZRSXBEYTFQCFGN-PWSUYJOCSA-N 196.290 2.485 30 1 AEEF N#Cc1cc2ccccc2ccc1=O 169352513 JVTWNTCEMYTNKQ-UHFFFAOYSA-N 181.194 2.072 30 1 AEEF C=CCC#CC#CC#CC#C/C=C\C 238764761 VCOFOVIBYSJFJQ-XQRVVYSFSA-N 178.234 2.152 30 1 AEEF CC=C(C)C(=O)CCC[C@H](C)O 2356616334 TYDFAQBVUJWLCN-VIFPVBQESA-N 170.252 2.073 30 1 AEEF C#CC#Cc1ccc(C#CC=C)s1 13380204 QVLQCDBLHFENOC-UHFFFAOYSA-N 182.247 2.270 30 1 AEEF biogenic,in-vitro CCC=CC[C@@H]1[C@H](O)CC[C@@H]1CC=O 2356776980 ZTBYPIBZNSMFBV-GRYCIOLGSA-N 196.290 2.319 30 1 AEEF CN1c2ccccc2S[C@H]1S 45245638 FGLXXEJCCUBWIA-MRVPVSSYSA-N 183.301 2.442 30 1 AEEF C=C(C)/C=C/[C@@H]1C[C@@H](C)C(=O)O1 196811093 VOJBXZDIFIJUKD-HOMPQPGZSA-N 166.220 2.070 30 1 AEEF CCC(=O)C=CC=C[C@H](C)[C@H](O)CC 2356501419 ZRSXBEYTFQCFGN-CMPLNLGQSA-N 196.290 2.485 30 1 AEEF CC(=O)C=C1Cc2ccccc21 2356417645 HSWMQRVHOHJXTQ-UHFFFAOYSA-N 158.200 2.215 30 1 AEEF CC#CC#CC#CC=CCCC(=O)CC 2356479148 FPCUXOLBEQHUKP-UHFFFAOYSA-N 198.265 2.332 30 1 AEEF C=C1C(=O)[C@@H]2C[C@H]1[C@H]1CCC[C@H]12 28395730 GLPFAIQMLYYMEK-SGIHWFKDSA-N 162.232 2.178 30 1 AEEF CC[C@@H](S)CCCCC(=O)O 32304004 LABZAONVGARYLS-SSDOTTSWSA-N 176.281 2.340 30 1 AEEF in-vitro C=CCSc1nc2ncccc2[nH]1 6877708 HIBXFSDVJJGTSY-UHFFFAOYSA-N 191.259 2.236 30 1 AEEF CNc1oc(C2CCCC2)nc1C#N 36380727 IFELCUYJBJOXAE-UHFFFAOYSA-N 191.234 2.246 30 1 AEEF C=C[C@]12CCCC[C@H]1C(=C)C(=O)OC2 1716112 DUVAMNCICWWNJV-CMPLNLGQSA-N 192.258 2.462 30 1 AEEF C[C@@H]1CCC[C@@]2(C)CC(=O)C=C[C@]12O 212229656 RTYOTMKUFIVWRN-USWWRNFRSA-N 194.274 2.073 30 1 AEEF C=CCC1C(=O)c2ccccc2C1=O 101179896 PAXPSBURWXWQRS-UHFFFAOYSA-N 186.210 2.258 30 1 AEEF CC1(C)[C@@H]2CC[C@@]1(C)C(=N/O)/C2=N\O 105062906 JCFJSQZXNOMXCP-AGMDUHBXSA-N 196.250 2.103 30 1 AEEF CCC(=O)C(C)=C[C@H](C)[C@H](O)CC 2356690430 WYSTUSNFDIYLBM-WCBMZHEXSA-N 184.279 2.319 30 1 AEEF C=CCC=Cc1cccc(O)c1CO 2356483889 BPXDQZBIWRQLDK-UHFFFAOYSA-N 190.242 2.474 30 1 AEEF CSCCCCCC=NO 2356760217 OKKDZUZMZMLOGY-UHFFFAOYSA-N 161.270 2.370 30 1 AEEF Cc1ccc(C#Cc2cncnc2)cc1 44416876 ZOMOIRLSPVPXOT-UHFFFAOYSA-N 194.237 2.185 30 1 AEEF C#CCOCc1ccc(F)cc1F 957641851 YOAIUPGWTAOLSM-UHFFFAOYSA-N 182.169 2.115 30 1 AEEF C/C=C/[C@]1(C)SC(=O)C=C1O 101451572 WCAZDOJNGAPMKK-RTMURIBGSA-N 170.233 2.037 30 1 AEEF CN1CC=C(C#Cc2ccccc2)CC1 13729359 OFOFGRKHNGMFLQ-UHFFFAOYSA-N 197.281 2.300 30 1 AEEF Cc1cc(C)c2c(c1)C(=NO)CCN2 299809370 NVHQFMRXBCOQIU-UHFFFAOYSA-N 190.246 2.297 30 1 AEEF CC=C(C)C(=O)CCC[C@@H](C)O 2356616333 TYDFAQBVUJWLCN-SECBINFHSA-N 170.252 2.073 30 1 AEEF C=C1C(=O)[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 169359589 GLPFAIQMLYYMEK-DOLQZWNJSA-N 162.232 2.178 30 1 AEEF CCCCCCC#CCC(=O)C=[N+]=[N-] 43598592 ZXRFANKSVLKMFA-UHFFFAOYSA-N 192.262 2.220 30 1 AEEF CC#CC#CC#CC#CCCCC 85554807 MMEHWMNDRAXORE-UHFFFAOYSA-N 168.239 2.210 30 1 AEEF endogenous,in-man CC#CC#CC#C/C=C/CCC(=O)CC 5768049 FPCUXOLBEQHUKP-ZHACJKMWSA-N 198.265 2.332 30 1 AEEF C=C[C@@H]1C=C(/C=N/O)CCC1 26832781 KDABFCPUPALDOK-VKHJRQFRSA-N 151.209 2.359 30 1 AEEF C=CC/C=C\CCC(=O)OCC 38633280 LNOWXPKCCJROHI-SREVYHEPSA-N 168.236 2.462 30 1 AEEF CC(=N)C1=C(O)CC(C)(C)CC1=O 6530992 PGEPMUSVMOYMIH-UHFFFAOYSA-N 181.235 2.227 30 1 AEEF CCC(=O)/C(C)=C/[C@H]1CCCCN1C 13554171 GTWYJRCFEOWTHB-PBQZMEPESA-N 195.306 2.396 30 1 AEEF C/C=C/[C@]1(C)SC(=O)C(C)=C1O 101451571 AIYZYVOEVDBZRS-MOVJSRMASA-N 184.260 2.427 30 1 AEEF C/C=C\C#CC#CC#CC#C/C=C\C 85922310 WNKUNTYSRYMVDG-GLIMQPGKSA-N 178.234 2.152 30 1 AEEF endogenous,in-man CC#Cc1nc2ccc(F)c(F)c2[nH]1 587953585 ODXNLBGXCCGKJR-UHFFFAOYSA-N 192.168 2.213 30 1 AEEF CC(C)(c1nccs1)C(C#N)C#N 299858342 GJZPBDLMIKTEFE-UHFFFAOYSA-N 191.259 2.084 30 1 AEEF Cc1c(C#Cc2ccccc2)cnn1C 5537311 XOIXVIYBKPOBJW-UHFFFAOYSA-N 196.253 2.128 30 1 AEEF CC1=CC(=O)C[C@H](C)[C@]12CCC(=O)C2 14823476 OGDKSKNHHSXJNA-CABZTGNLSA-N 192.258 2.281 30 1 AEEF endogenous,in-man C=CC[C@@H]1CCCC(=O)N2CCC[C@@H]12 13813320 BCLCSUZENONJBH-MNOVXSKESA-N 193.290 2.354 30 3 AEEF CC1(C)[C@H]2CC[C@@]1(C)/C(=N/N)C2 100098092 PEGOJPQIBGLFFN-XWPFQUFSSA-N 166.268 2.147 30 1 AEEF C=C1C(=O)[C@@H]2C[C@@H]1[C@H]1CCC[C@H]12 195113667 GLPFAIQMLYYMEK-QCLAVDOMSA-N 162.232 2.178 30 1 AEEF CC(C)=CC(=O)C[C@@]1(C)CCC(=O)O1 14657734 MJFNQTVRNUJMHF-LLVKDONJSA-N 196.246 2.008 30 1 AEEF C[C@@]1(CCC=O)[C@H]2[C@H]3C[C@@H]1C[C@H]32 238762383 VHHBADJEQDLCIU-HWUMTFDVSA-N 164.248 2.258 30 1 AEEF CCC/C=C/C#C/C=C/COC(C)=O 13433483 JATNGBVNDFMUTQ-QPHGKBKNSA-N 192.258 2.465 30 1 AEEF C#CCC#CCc1ccccc1 80727157 PCCTZAAAANDNQS-UHFFFAOYSA-N 154.212 2.256 30 1 AEEF CN(C)/N=N/c1ccccc1C#N 17020352 RPBROIBRVOVULA-VAWYXSNFSA-N 174.207 2.119 30 1 AEEF S=C/C=N/CCc1ccccc1 85531493 OXKMPPAKLSXLDI-DHZHZOJOSA-N 177.272 2.300 30 1 AEEF biogenic,in-vitro C=C/C=C/C#CC#C/C=C1\C=CCO1 238762039 VUTHUFKTXIOUJH-JLWBUXRQSA-N 182.222 2.206 30 1 AEEF C=C[C@@](C)(O)CC=C(C)C 103189123 GCIBXLKDWKQSNJ-SECBINFHSA-N 140.226 2.280 30 1 AEEF CNCC/C=C(/CC(C)C)C(C)=O 208005687 GMNUBHLUPCQHOO-WDZFZDKYSA-N 183.295 2.157 30 1 AEEF C=CC[C@H]1[C@H](COC(C)=O)C1(C)C 2356787445 UVQOBCBQCOVBIV-UWVGGRQHSA-N 182.263 2.398 30 1 AEEF CC1(C)/C(=N\O)[C@@]2(C#N)CC[C@@H]1C2 102955184 NUXOVZRBOZONAS-KSJHYXSPSA-N 178.235 2.166 30 1 AEEF C=C1CC23CNCC2(C1)CC(=C)C3 219160535 USXUIDLNCKTBSV-UHFFFAOYSA-N 175.275 2.262 30 1 AEEF Cc1cccc(C#Cc2cncnc2)c1 40847699 WDWDORGIXVCIQC-UHFFFAOYSA-N 194.237 2.185 30 1 AEEF in-vivo C[C@]12CCC[C@@]3(CO3)[C@H]1CCC(=O)C2 2356395593 SSGIQECYLUATGW-QJPTWQEYSA-N 194.274 2.315 30 1 AEEF CCCCC(=O)C1=CCN(C)CC1 27641385 NEIRTMMKWMSOLP-UHFFFAOYSA-N 181.279 2.008 30 1 AEEF O=C1C=C[C@@H](CC2=CCCCC2)OC1 27317166 HUCMRLOEJJWHGB-LBPRGKRZSA-N 192.258 2.401 30 1 AEEF C=C1[C@@H](CC(=O)O)[C@H]1CCCC 25968603 MALLIGZHMYAMRU-DTWKUNHWSA-N 168.236 2.454 30 1 AEEF C=C(C)C=C[C@@H]1C[C@@H](C)C(=O)O1 2356599350 VOJBXZDIFIJUKD-RKDXNWHRSA-N 166.220 2.070 30 1 AEEF CC#CC#CC#C/C=C\c1ccco1 14614417 WCFQDNGXQCLSCK-NTMALXAHSA-N 180.206 2.323 30 1 AEEF C=CC[N+](C)(C)c1ccccc1OC 9164 FRIKSJMNMRNNFG-UHFFFAOYSA-N 192.282 2.448 30 1 AEEF C=CCCC/N=C/C=S 85531454 LSOCANBMZWWPQI-SOFGYWHQSA-N 141.239 2.023 30 1 AEEF biogenic,in-vitro C=C(C)/C=C\[C@@H]1C[C@H](C)C(=O)O1 13462983 VOJBXZDIFIJUKD-CGECUYNFSA-N 166.220 2.070 30 1 AEEF endogenous,in-man C=C/C=C\C=C\C#CC#CC#CC 111966554 AJWRNFIZKHPOHC-BABZSUFTSA-N 166.223 2.315 30 1 AEEF C=CCC=CCC=CCCO 2356306904 KWGDFTQDIHRGEF-UHFFFAOYSA-N 152.237 2.447 30 1 AEEF Cc1cccc(C#Cc2ncccn2)c1 40975919 GHGMWMJKRGZKMW-UHFFFAOYSA-N 194.237 2.185 30 1 AEEF in-vivo C=CCC#CC#CC#CC#C/C=C/C 238757820 VCOFOVIBYSJFJQ-GQCTYLIASA-N 178.234 2.152 30 1 AEEF CCC(=O)C(C)=C[C@@H](C)[C@@H](O)CC 2356690429 WYSTUSNFDIYLBM-SCZZXKLOSA-N 184.279 2.319 30 1 AEEF C=C1[C@H]2CC[C@@](C=O)([C@H]2OC)C1(C)C 2356682413 LDMLBMTXQQQRGS-JFGNBEQYSA-N 194.274 2.193 30 1 AEEF C#CCN(C)CC(=C)c1cccs1 299853163 GPXOXKSGBIOBCA-UHFFFAOYSA-N 191.299 2.326 30 1 AEEF CC1=CCCC[C@H]1[C@@H]1C=CC(=O)CO1 27311417 NHZGJIUNGUQCOS-NEPJUHHUSA-N 192.258 2.257 30 1 AEEF CC1=CCC(/C=N/O)=CC1 29556004 VZFNJGQZUUAXKC-RMKNXTFCSA-N 137.182 2.113 30 1 AEEF C=C(C)C(=O)OC/C(C)=C/C 149702839 ZHJOZVKIWDMOFL-VMPITWQZSA-N 154.209 2.072 30 1 AEEF C=C(CCC)CCOC(C)=O 59725000 LANNBUOMKVZPEI-UHFFFAOYSA-N 156.225 2.296 30 1 AEEF C=C(C)[C@H]1CC[C@H](C)OC(=O)C1 967807 DNWZWUWUDAGNJB-IUCAKERBSA-N 168.236 2.294 30 1 AEEF in-vitro C=C1C=C[C@](O)(C(C)C)CC1 14588392 BLCSHJQURBOXAI-SNVBAGLBSA-N 152.237 2.280 30 1 AEEF endogenous,in-man C=CC[N+](C)(C)c1cccc(OC)c1 13586870 PFXRIYWLSFXQEV-UHFFFAOYSA-N 192.282 2.448 30 1 AEEF CC#CC#CCc1ccccc1OC 14504038 AWBXMNYCXOZEMM-UHFFFAOYSA-N 184.238 2.264 30 1 AEEF biogenic,in-vitro C=C1C=C[C@@H](C(C)C)C[C@@H]1[N+](=O)[O-] 14614127 VJPVONZUZIQQIH-ZJUUUORDSA-N 181.235 2.420 30 1 AEEF endogenous,in-man COCC[C@H](C#N)c1ccc(F)cc1 95872465 DYWKXIDEFYXOQM-SNVBAGLBSA-N 193.221 2.469 30 1 AEEF C=CCN(C)CC#Cc1ccc(C)cc1 203463724 ZWBSOFYGAFOFPF-UHFFFAOYSA-N 199.297 2.464 30 3 AEEF C=CC[N+](C)(C)c1ccc(OC)cc1 13586871 NEZKNCITTRABEA-UHFFFAOYSA-N 192.282 2.448 30 1 AEEF C=C1C[C@]2(C[C@H]3CC[C@@H]2C3)OC1=O 25984473 NNVWGBFEXBVTQH-IQJOONFLSA-N 178.231 2.048 30 1 AEEF CC1(C)[C@@H]2CC[C@@]1(C)C(=N/O)/C2=N/O 17313487 JCFJSQZXNOMXCP-FVFOKTBTSA-N 196.250 2.103 30 1 AEEF CCC/C=C/C#C/C=C/C(=O)OC 13433474 RHRRJXDOEHPZKW-QPHGKBKNSA-N 178.231 2.075 30 1 AEEF CN1CCCC1=Nc1ccccc1 263591117 CEJCBMLKKRWTMX-UHFFFAOYSA-N 174.247 2.442 30 3 AEEF CC1=CC(=C2C=CN(C)C=C2)C=CC1=O 377805977 SMJQUANITFUAKT-UHFFFAOYSA-N 199.253 2.341 30 1 AEEF CC12[C@H]3CC(C[C@@H]31)[C@@]2(C)CC=O 100781114 WTFMBIIXZCPCMT-PETCMJGMSA-N 164.248 2.258 30 1 AEEF endogenous,in-man C=CC[C@@H]1[C@H](COC(C)=O)C1(C)C 2356787447 UVQOBCBQCOVBIV-ZJUUUORDSA-N 182.263 2.398 30 1 AEEF C=CC[C@]12CC(=O)CC[C@@H]1CC(=O)C2 1616119 ZMMXPOITZACTMG-BXKDBHETSA-N 192.258 2.281 30 1 AEEF CCCC=C1OC(C)=C(O)C1=O 2356830552 JJPKPKGALPXILL-UHFFFAOYSA-N 168.192 2.059 30 1 AEEF CO/N=C(/C)[C@H]1CC=C(/C=N/O)CC1 26831447 ZHFKNCMSPIGQBN-NAKRUXIMSA-N 196.250 2.195 30 1 AEEF CC1=CC=C(/C=N/O)CC1 28246228 YIAJVAWYXKPNBI-RMKNXTFCSA-N 137.182 2.113 30 1 AEEF C=CC[C@H](O)c1ccc(O)c(F)c1 36376918 JETNICQMULBPOJ-VIFPVBQESA-N 182.194 2.141 30 1 AEEF C=C1[C@H](CCCC)[C@H]1CC(=O)O 25968108 MALLIGZHMYAMRU-IUCAKERBSA-N 168.236 2.454 30 1 AEEF CO/C=C/C#CC#C/C=C/c1ccco1 206418456 GHUBEXJMQWCFNW-QHAIXMIYSA-N 198.221 2.460 30 1 AEEF CC1=CC(=O)C[C@]2(C)CCC(=O)C[C@H]12 2356416436 UCCYFCZZQRJAPO-NEPJUHHUSA-N 192.258 2.281 30 1 AEEF CCN(C(=N)C#N)c1ccccc1 1627748 ZACZKQFDGFCPLJ-UHFFFAOYSA-N 173.219 2.014 30 1 AEEF N=C(CS)N1CC2CCC(CC2)C1 147267079 UEESPPMOPAYTCG-UHFFFAOYSA-N 198.335 2.015 30 1 AEEF C=CC=C(C)C[C@@](C)(O)C=C 2356346888 BXBYGLDDEZXFSZ-JTQLQIEISA-N 152.237 2.446 30 1 AEEF C=C(C)C=C[C@H](CO)C(=C)C 2356486221 KBVFHOKBXAUWHI-SNVBAGLBSA-N 152.237 2.303 30 1 AEEF C=CCCCN1C=CN(C)C1=CN=O 1857742581 AYTZATKXALOHAK-UHFFFAOYSA-N 193.250 2.237 30 1 AEEF C=C[C@@H](C=C(C)CO)C(=C)C 2356514814 NHJXCMQPMLBAMK-JTQLQIEISA-N 152.237 2.303 30 1 AEEF C=C(C)[C@@H]1CC[C@@H](C)C(=O)OC1 967818 BBKYOZJVRPOMGL-RKDXNWHRSA-N 168.236 2.152 30 1 AEEF in-vitro CN1CCC[C@H]1/C=C1\CCCCC1=O 13554127 YIZWVBDCYVZUCH-USKTWTLRSA-N 193.290 2.150 30 1 AEEF CSC/C(=N\O)C(C)(C)C 5439176 WMNXDZQBHMQKLX-SOFGYWHQSA-N 161.270 2.226 30 1 AEEF in-vitro C=C1C[C@@]2(C[C@H]3CC[C@@H]2C3)OC1=O 25984466 NNVWGBFEXBVTQH-NGZCFLSTSA-N 178.231 2.048 30 1 AEEF O=C(NO)c1cc2ccsc2s1 96924294 UIPPKQMZTYHXOA-UHFFFAOYSA-N 199.256 2.082 30 1 AEEF C=CCC#CC#CC#CC#CC=CC 2356400253 VCOFOVIBYSJFJQ-UHFFFAOYSA-N 178.234 2.152 30 1 AEEF C=C1C[C@]23CC=CC[C@@]2(CNC3)C1 299827806 IAOTWDIBROTWOP-RYUDHWBXSA-N 175.275 2.262 30 1 AEEF C=CC=C(C)C[C@](C)(O)C=C 2356346889 BXBYGLDDEZXFSZ-SNVBAGLBSA-N 152.237 2.446 30 1 AEEF COCC[C@@H]1CC=C(/C=N/O)CC1 26837095 RQFFGMOFTJNZNF-FJUNDMEASA-N 183.251 2.209 30 1 AEEF CO[C@H](C)C1=CCC(/C=N/O)=CC1 28244036 ODUYQBRJJXCYQT-XAPLUZPNSA-N 181.235 2.128 30 1 AEEF CC#Cc1nc2ccc(CC)cc2[nH]1 587953145 FTTLTDGUFAXBHI-UHFFFAOYSA-N 184.242 2.497 30 1 AEEF C=C[C@](C)(O)[C@H]1C[C@H]1C(C)C 2356532101 QVCSRKHFGTZDKO-GUBZILKMSA-N 154.253 2.216 30 1 AEEF S=CC=NCc1ccccc1 2356753662 RZKDTKSGADGQJJ-UHFFFAOYSA-N 163.245 2.257 30 1 AEEF C=C[C@H]1CC=C(/C=N/O)CC1 28246252 ZSAZSZBFLSUQJY-VKHJRQFRSA-N 151.209 2.359 30 1 AEEF CCC=CC=CC#CC#CCCCO 2356458639 PWSLXNDRSAQHIG-UHFFFAOYSA-N 188.270 2.288 30 1 AEEF N#Cc1ccc2ccccc2c(=O)c1 169352514 YGJXVLRPJJAXQC-UHFFFAOYSA-N 181.194 2.072 30 1 AEEF O/N=C\c1cccn1-c1ccccc1 100445916 GFJSURQCDNEJDI-XFXZXTDPSA-N 186.214 2.285 30 1 AEEF C=CC=CC#CC#CC=CC 2356494587 IJWBTDKZNPTVLE-UHFFFAOYSA-N 142.201 2.312 30 1 AEEF CCCC(=O)/C=C(\O)c1ccccn1 101800954 XLYCQDJRGUWRNK-FLIBITNWSA-N 191.230 2.350 30 1 AEEF C=C1CO[C@@H]2C=C(C)CC[C@H]12 15169328 FQRAKZWEBJPGTM-NXEZZACHSA-N 150.221 2.298 30 1 AEEF C=C1C(=O)[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 169359590 GLPFAIQMLYYMEK-IMSYWVGJSA-N 162.232 2.178 30 1 AEEF C=C1[C@H]2C[C@@H](C[C@H]2CO)C1(C)C 2356775337 KHOKUVVUWPENMI-IVZWLZJFSA-N 166.264 2.217 30 1 AEEF C=C(C)/C=C/[C@H]1C[C@@H](C)C(=O)O1 196811071 VOJBXZDIFIJUKD-VJIGKBMESA-N 166.220 2.070 30 1 AEEF C#CCN[C@@H](C)C(=C)c1ccccc1 299865216 STUALFBOWSJNBG-LBPRGKRZSA-N 185.270 2.311 30 1 AEEF CC#Cc1nc2ccc(F)c(C)c2[nH]1 587954044 ZEZSZELOXDVCAS-UHFFFAOYSA-N 188.205 2.382 30 1 AEEF C1#CCO[C@H]2CCCC[C@@H]2C#CC=C1 253699396 IPXDEHDDFJCTPE-STQMWFEESA-N 186.254 2.138 30 1 AEEF C=CCc1cc(OC)cc2c1OCO2 196273230 HFGSPIVAGONERP-UHFFFAOYSA-N 192.214 2.152 30 1 AEEF O=C1CCC/C(=N/Cc2ccco2)C1 100916674 VISJYYXJZNRVOR-XFXZXTDPSA-N 191.230 2.364 30 3 AEEF C[C@H]1CC=C(/C=N/O)CC1 26842117 KVSAALNEABNKAC-QCCBYXMRSA-N 139.198 2.193 30 1 AEEF CC1=CC(=O)C[C@]2(C)CCC(=O)C[C@@H]12 238771849 UCCYFCZZQRJAPO-RYUDHWBXSA-N 192.258 2.281 30 1 AEEF CC1=CC[C@@H]2C(C)(C)[C@@]23O[C@@H]13 2356604041 OOMNRJSJIJYWGT-KHQFGBGNSA-N 150.221 2.130 30 1 AEEF C=C1C(=O)C[C@@H]2C[C@@H]1C2(C)C 100069024 TZDMGBLPGZXHJI-YUMQZZPRSA-N 150.221 2.178 30 1 AEEF endogenous,in-man CC#CC#CC#CC=Cc1ccco1 2356479584 WCFQDNGXQCLSCK-UHFFFAOYSA-N 180.206 2.323 30 1 AEEF COC=CC#CC#CC=Cc1ccco1 2356711577 GHUBEXJMQWCFNW-UHFFFAOYSA-N 198.221 2.460 30 1 AEEF CC1=CC(=O)C[C@]2(C)CCC(=O)C=C12 238771839 QOGAOZMNHRUYIJ-LBPRGKRZSA-N 190.242 2.201 30 1 AEEF CC#COP(=O)(OCC)OCC 1629811 FEOYLGMPNDAVQV-UHFFFAOYSA-N 192.151 2.165 30 1 AEEF C=C/C=C\C=C/C#CC#CC#CC 111966550 AJWRNFIZKHPOHC-CXHWBCNXSA-N 166.223 2.315 30 1 AEEF C=C1C[C@@]23CCC[C@]2(CNC3)C1 299824058 GGEMOKIUKBLHJR-GHMZBOCLSA-N 163.264 2.096 30 1 AEEF C=C(C)[C@H]1CCCC1=CC(=O)OC 2356599650 HZZBTVOUGFOQSZ-SNVBAGLBSA-N 180.247 2.462 30 1 AEEF O=C(C=C(O)c1ccccc1)C(F)F 2356840236 MPBVZXNPAMVEBX-UHFFFAOYSA-N 198.168 2.420 30 1 AEEF C=CC[N+](C)(C)Cc1cccc(O)c1 13586884 MBRLPTYYECFPNZ-UHFFFAOYSA-O 192.282 2.155 30 1 AEEF CC#Cc1nc2cc(F)c(F)cc2[nH]1 587953981 XVFGTFSBDGRVJJ-UHFFFAOYSA-N 192.168 2.213 30 1 AEEF CC(=O)/C=C/c1ccc(F)c(O)c1 1857554460 REEJBTNBVHTNMK-NSCUHMNNSA-N 180.178 2.134 30 1 AEEF CCCc1noc2c1/C(=N\O)CCC2 102419859 VHGZNFIFFJMVTP-XFFZJAGNSA-N 194.234 2.142 30 3 AEEF CC=CC=CCC[C@@H]1NCC[C@@H]2O[C@@H]12 2356801628 QTCXZYCGYKPCGV-SRVKXCTJSA-N 193.290 2.028 30 1 AEEF CC/C=C\C=C/C#CC#C/C=C\CO 238787782 YCXSBVALLBAGMY-RTJJODIFSA-N 186.254 2.064 30 1 AEEF CC[C@H](S)CCCCC(=O)O 32304006 LABZAONVGARYLS-ZETCQYMHSA-N 176.281 2.340 30 1 AEEF in-vitro CC(C)(C)CCn1ccnc1/C=N/O 103254410 MLRHSBXBQWKAFV-XYOKQWHBSA-N 195.266 2.127 30 1 AEEF CCC(=O)C=CC=C[C@H](C)[C@@H](O)CC 2356501420 ZRSXBEYTFQCFGN-JQWIXIFHSA-N 196.290 2.485 30 1 AEEF CCCC1=C(O)S[C@@H](C)C1=O 101032702 ZFRLWZOHXIMRNA-YFKPBYRVSA-N 172.249 2.261 30 1 AEEF CCCC(=O)/C=C(\O)c1cccnc1 101814348 NMKDHJOFWAIKLK-XFFZJAGNSA-N 191.230 2.350 30 1 AEEF CCC(=O)C(C)=C[C@@H](C)[C@H](O)CC 2356690428 WYSTUSNFDIYLBM-PSASIEDQSA-N 184.279 2.319 30 1 AEEF C=C(C[N+](C)(C)C)c1ccccc1 13521785 SEHMHSJBJVDTNH-UHFFFAOYSA-N 176.283 2.406 30 1 AEEF O=C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1 100050372 USPJNXWHVJTDJW-ORMBPQIASA-N 164.248 2.258 30 1 AEEF C=C[C@@H](C=C(C)C(=O)O)C(=C)C 2356509252 IVZCQNFSZAFCLM-VIFPVBQESA-N 166.220 2.396 30 1 AEEF CC1=CC[C@@H]2C(C)(C)[C@]23O[C@H]13 2356604042 OOMNRJSJIJYWGT-MRTMQBJTSA-N 150.221 2.130 30 1 AEEF C=CC(C)(C)c1nc2cccnc2[nH]1 587956144 YDSNNBYHAQOHSC-UHFFFAOYSA-N 187.246 2.422 30 1 AEEF C=C1C(=O)O[C@@H](c2ccccc2)[C@@H]1C 40981258 ZIWATCVURPQWQF-LDYMZIIASA-N 188.226 2.477 30 1 AEEF CC#CC#CC=C1C=C[C@@]2(CC=CO2)O1 2356528791 IBELVOGDVQQPMZ-CYBMUJFWSA-N 198.221 2.114 30 1 AEEF C=CC[C@H]1CCCC(=O)N2CCC[C@H]12 13813329 BCLCSUZENONJBH-WDEREUQCSA-N 193.290 2.354 30 3 AEEF C=CC(=C)C/C=C\C(C)(C)O 111393495 NOEQSPUVXRMJBW-VURMDHGXSA-N 152.237 2.446 30 1 AEEF CC(=O)/C=C\[C@@H]1C[C@@H]2C=C[C@H]1C2 33849355 PJNSTJMFXBGTIM-GSKCAONESA-N 162.232 2.344 30 1 AEEF CC1=CCCC[C@@H]1[C@H]1C=CC(=O)CO1 27311404 NHZGJIUNGUQCOS-NWDGAFQWSA-N 192.258 2.257 30 1 AEEF CC#CC=C1CC[C@]2(CCCO2)O1 2356383907 DROVCHNAUMUBIQ-NSHDSACASA-N 178.231 2.211 30 1 AEEF C=CCCC[C@@H](C=C)OC(C)=O 14616377 CSSYVPGEVYWPNO-SNVBAGLBSA-N 168.236 2.460 30 1 AEEF ClN=C1C=CC=CC1=NCl 1857623123 RPGWWMBMIIJENL-UHFFFAOYSA-N 175.018 2.302 30 1 AEEF C=C1C(=O)O[C@H](C)C[C@H]1C(C)C 45253841 HASUJXHUNWVJIM-APPZFPTMSA-N 168.236 2.150 30 1 AEEF C=CCC=CCCC(=O)OCC 2356522565 LNOWXPKCCJROHI-UHFFFAOYSA-N 168.236 2.462 30 1 AEEF CC1=CCCC[C@H]1[C@H]1C=CC(=O)CO1 27311409 NHZGJIUNGUQCOS-VXGBXAGGSA-N 192.258 2.257 30 1 AEEF C=C1C[C@H](c2ccc(F)cc2)OC1=O 38251635 IEFYWLKUIUAKDJ-SNVBAGLBSA-N 192.189 2.370 30 1 AEEF CC(C)[C@@]12C=C[C@@H](C=O)[C@@H]1C2 136784905 UQLNHDYBGCTZNJ-GUBZILKMSA-N 150.221 2.034 30 1 AEEF O=C1C=C(Nc2ccc(F)cc2)CC1 1857576694 MILUFSAWPQXFRH-UHFFFAOYSA-N 191.205 2.484 30 1 AEEF C=CCC[C@]1(C)SC(=O)[C@H](C)C1=O 169719216 SYTASIWJJGUMGJ-XCBNKYQSSA-N 198.287 2.190 30 1 AEEF C=C/C=C/C#CC#C/C=C1/C=CCO1 238744608 VUTHUFKTXIOUJH-VTRGIVBXSA-N 182.222 2.206 30 1 AEEF COCCCC/C=C(C)/C=N/O 26835946 VTAGFWIDVJLOLZ-OAMUUVBCSA-N 171.240 2.209 30 1 AEEF C=C[C@]1(C)SC(=O)C(C)=C1O 101124266 MFDQNGORLCIWFD-QMMMGPOBSA-N 170.233 2.037 30 1 AEEF CC1=C(N2CCCCC2)CCC1=O 12479876 RDTLAVNFLHHFKT-UHFFFAOYSA-N 179.263 2.109 30 3 AEEF O=C[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 100050368 USPJNXWHVJTDJW-ZKKRXERASA-N 164.248 2.258 30 1 AEEF C=C[C@@]1(C)CC[C@@H]([C@H](C)CC(=O)O)O1 238730969 NAJZTTOYWJQEQW-YWVKMMECSA-N 198.262 2.221 30 1 AEEF CC1(C)[C@@H]2CC[C@]1(C)/C(=N/N)C2 100545037 PEGOJPQIBGLFFN-RAKPTTPHSA-N 166.268 2.147 30 1 AEEF CC1=CC(=NO)C(=O)c2ccccc21 2356387535 XXTOXNCVZCTLQI-UHFFFAOYSA-N 187.198 2.116 30 1 AEEF C=CC[C@@H](O)C=CC#CC#CCCC 2356472531 AAOBYDYOAZKODR-CYBMUJFWSA-N 188.270 2.287 30 1 AEEF O=C1C=CC(=O)n2c1cc1ccccc12 1857769217 ZOOJJCQXQUPDNN-UHFFFAOYSA-N 197.193 2.034 30 1 AEEF C=C1C(=O)[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]21 169359591 GLPFAIQMLYYMEK-ZYUZMQFOSA-N 162.232 2.178 30 1 AEEF C/C=C/[C@@]1(C)SC(=O)C=C1O 101124273 WCAZDOJNGAPMKK-MPJRPATESA-N 170.233 2.037 30 1 AEEF C/[N+]([O-])=C(/c1ccco1)C(C)(C)C 43063791 XJNQGSCIDBWBLH-PKNBQFBNSA-N 181.235 2.255 30 1 AEEF C=CCO/N=C/c1ccc(OC)cc1 72175344 FPAKWZYPSFMQMH-FMIVXFBMSA-N 191.230 2.232 30 1 AEEF C1#CCO[C@H]2CCCC[C@@H]2C#C/C=C\1 26147315 IPXDEHDDFJCTPE-FIGAQHRESA-N 186.254 2.138 30 1 AEEF CSCCCCC#[N+][O-] 62238398 OEYSMCOBLWKLRI-UHFFFAOYSA-N 145.227 2.350 30 1 AEEF in-vitro O=C[C@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 100050371 USPJNXWHVJTDJW-RCZSTQMZSA-N 164.248 2.258 30 1 AEEF CCC1=C(N2CCCC2)C(=O)CC1 100828301 XYFITVFPQSIWES-UHFFFAOYSA-N 179.263 2.109 30 1 AEEF endogenous,in-man C=C(C)[C@H]1C=C=C(C)C(=O)C1 2356861494 UJPMAHOMNAITRS-VIFPVBQESA-N 148.205 2.253 30 1 AEEF C=C(CCOC(=O)/C(C)=C\C)C(C)=O 96014476 BYOAHAKIXHJNTC-YVMONPNESA-N 196.246 2.031 30 1 AEEF CC1(C)/C(=N\O)[C@@]2(C#N)CC[C@H]1C2 102955186 NUXOVZRBOZONAS-XWPFQUFSSA-N 178.235 2.166 30 1 AEEF C=CC[C@@]12CC(=O)CC[C@H]1CC(=O)C2 1616118 ZMMXPOITZACTMG-CABZTGNLSA-N 192.258 2.281 30 1 AEEF CCCC=CC#CC=CC(=O)OC 2356676256 RHRRJXDOEHPZKW-UHFFFAOYSA-N 178.231 2.075 30 1 AEEF CC1=CC(=O)C[C@@]2(C)CCC(=O)C[C@@H]12 2356416437 UCCYFCZZQRJAPO-NWDGAFQWSA-N 192.258 2.281 30 1 AEEF C=C1C(=O)O[C@H](C)C[C@@H]1C(C)C 45253837 HASUJXHUNWVJIM-VXNVDRBHSA-N 168.236 2.150 30 1 AEEF C1#CCO[C@H]2CCCC[C@@H]2C#C/C=C/1 169369762 IPXDEHDDFJCTPE-WFPVSODESA-N 186.254 2.138 30 1 AEEF C=C(C)/C=C\[C@@H]1C[C@@H](C)C(=O)O1 13462981 VOJBXZDIFIJUKD-UVSMVFJQSA-N 166.220 2.070 30 1 AEEF endogenous,in-man C=C1C(=O)O[C@H](c2ccccc2)[C@@H]1C 38234760 ZIWATCVURPQWQF-KCJUWKMLSA-N 188.226 2.477 30 1 AEEF CC#CC#C/C=C\c1ccco1 215403345 NOOWZXJIDIWJKN-VURMDHGXSA-N 156.184 2.320 30 1 AEEF CC1=C[C@H]2CC(=O)C[C@H](C)[C@H]2CC1=O 18140067 IAZCELYLVPKJIP-OVYXKVPISA-N 192.258 2.137 30 1 AEEF C=CCCCN1C=CN(C)/C1=C/N=O 211545035 AYTZATKXALOHAK-KTKRTIGZSA-N 193.250 2.237 30 1 AEEF C=C1CCC[C@H]2O[C@@H](OC)CC[C@@H]12 17176476 GGLLEFPUPGJBBI-HBNTYKKESA-N 182.263 2.494 30 1 AEEF C[C@]1(S)CCCS1 32163938 SVPXVYCUWKYTRA-RXMQYKEDSA-N 134.269 2.159 30 1 AEEF endogenous,in-man CC=CC=CCC[C@@H]1NCC[C@H]2O[C@H]12 2356801626 QTCXZYCGYKPCGV-QJPTWQEYSA-N 193.290 2.028 30 1 AEEF C#CC#CC#C/C=C/COC(C)(C)C=C 238748958 ZGQBZTXCGDYHRE-VAWYXSNFSA-N 198.265 2.164 30 1 AEEF C=C[C@H](C)C=C[C@H](O)C(C)C 2356667616 XYZNSCZGYWUITB-UWVGGRQHSA-N 154.253 2.382 30 1 AEEF C=C[C@H]1[C@@H]2C(C)(C)OC[C@]12C 34599047 HHDOWVHECSBICN-QXFUBDJGSA-N 152.237 2.234 30 1 AEEF C=CC(C)=CC[C@@H](O)C(=C)C 2356416434 TYDDWHVJHGIJCW-SNVBAGLBSA-N 152.237 2.446 30 1 AEEF Cc1ccsc1-c1nc(C#N)c[nH]1 26971425 JHVPSQYNZLVQPU-UHFFFAOYSA-N 189.243 2.318 30 1 AEEF CC#CC#CC#CC=CC=CC 2356754369 ZKHQCSYGZNSXAT-UHFFFAOYSA-N 154.212 2.149 30 1 AEEF C=C1C=C[C@@](O)(C(C)C)CC1 14588391 BLCSHJQURBOXAI-JTQLQIEISA-N 152.237 2.280 30 1 AEEF endogenous,in-man C=CC[C@@]12CC(=O)CC[C@@H]1CC(=O)C2 1616120 ZMMXPOITZACTMG-SKDRFNHKSA-N 192.258 2.281 30 1 AEEF C#CCOCc1c(F)cccc1F 957634020 HEROTFCXOBLPON-UHFFFAOYSA-N 182.169 2.115 30 1 AEEF C=C[C@H](C=C(C)CO)C(=C)C 2356514815 NHJXCMQPMLBAMK-SNVBAGLBSA-N 152.237 2.303 30 1 AEEF C=CCN(CC#CC(=C)C)CC1CC1 203471623 ZAAGNLQJQRGEOA-UHFFFAOYSA-N 189.302 2.464 30 3 AEEF C[C@H](S)S[C@H](C)S 32163198 PAEMPWLDXSJQRU-QWWZWVQMSA-N 154.325 2.271 30 1 AEEF endogenous,in-man Cc1cncn1Cc1ccc(C#N)cc1 27847482 JYTDMONWVZXEMX-UHFFFAOYSA-N 197.241 2.112 30 1 AEEF in-vivo C#CC[n+]1ccc(-c2ccccc2)cc1 26376361 XZFHRWDBHLASKA-UHFFFAOYSA-N 194.257 2.274 30 1 AEEF CC#CC#C/C=C/C=C\C=C\CCO 238773621 CNMWTIVSNRLOLQ-NZVWDSLRSA-N 186.254 2.064 30 1 AEEF C=CC(C)(C)c1nc2cnccc2[nH]1 587955934 WULIEECHAJUWDW-UHFFFAOYSA-N 187.246 2.422 30 1 AEEF C=C(C)[C@@H]1CC[C@H](C)OC(=O)C1 967815 DNWZWUWUDAGNJB-DTWKUNHWSA-N 168.236 2.294 30 1 AEEF in-vitro C=C1C[C@]23CCC[C@@]2(CNC3)C1 299824068 GGEMOKIUKBLHJR-QWRGUYRKSA-N 163.264 2.096 30 1 AEEF C=C(C)C=C[C@H]1C[C@H](C)C(=O)O1 2356599349 VOJBXZDIFIJUKD-IUCAKERBSA-N 166.220 2.070 30 1 AEEF CO[C@@H](C)C1=CCC=C(/C=N/O)C1 28243986 PVDRYLLJGUTMGB-LBTPYSACSA-N 181.235 2.128 30 1 AEEF in-vitro CC/C=C/C=C/C#CC#C/C=C/CO 238735848 YCXSBVALLBAGMY-JHHIBIJLSA-N 186.254 2.064 30 1 AEEF CC1(C)/C(=N\O)[C@]2(C#N)CC[C@H]1C2 102955191 NUXOVZRBOZONAS-QOKOICMUSA-N 178.235 2.166 30 1 AEEF C/C=C\C#CC#C/C=C\CC(=O)CC 238758600 DIEUBWKHTZKPOS-KECVDKFLSA-N 186.254 2.495 30 1 AEEF C[C@H]1CCC[C@]2(C)CC(=O)C=C[C@@]12O 205290269 RTYOTMKUFIVWRN-MVWJERBFSA-N 194.274 2.073 30 1 AEEF CC#Cc1nc2ccc(F)cc2[nH]1 587953257 IBTXTBRNZQYINM-UHFFFAOYSA-N 174.178 2.073 30 1 AEEF CC/C=C\C=C\C#CC#C/C=C\CO 238787785 YCXSBVALLBAGMY-XTANMWNBSA-N 186.254 2.064 30 1 AEEF CC1=CC(=O)C[C@@H](C)[C@]12CCC(=O)C2 14823474 OGDKSKNHHSXJNA-SKDRFNHKSA-N 192.258 2.281 30 1 AEEF endogenous,in-man Cc1cc(C)c2c(c1)/C(=N\O)CCN2 101743976 NVHQFMRXBCOQIU-RAXLEYEMSA-N 190.246 2.297 30 1 AEEF CC=CC#CC#CC=CCC(=O)CC 2356744397 DIEUBWKHTZKPOS-UHFFFAOYSA-N 186.254 2.495 30 1 AEEF C=CCSC(=S)n1ccnc1C 103287141 NDEYSHIWJCDLLT-UHFFFAOYSA-N 198.316 2.244 30 1 AEEF C[C@]12CCC[C@@]3(CO3)[C@@H]1CCC(=O)C2 2356395592 SSGIQECYLUATGW-IJLUTSLNSA-N 194.274 2.315 30 1 AEEF C#C[C@H]1c2ccccc2CCN1CC=C 199736242 XUPOCKIJSNSWTE-AWEZNQCLSA-N 197.281 2.405 30 3 AEEF C#CCN[C@H](C)C(=C)c1ccccc1 299865215 STUALFBOWSJNBG-GFCCVEGCSA-N 185.270 2.311 30 1 AEEF C=C(C)[C@H](C)N(O)c1cc(C)on1 73141951 PPIAIVXKCAEASZ-QMMMGPOBSA-N 182.223 2.143 30 1 AEEF CCC=CC[C@@H]1[C@@H](O)CC[C@@H]1CC=O 2356776989 ZTBYPIBZNSMFBV-WOPDTQHZSA-N 196.290 2.319 30 1 AEEF C=C[C@@H](C/C=C/CCC)OC=O 238773259 GLNOXUBTLPASTG-FGEFZZPRSA-N 168.236 2.460 30 1 AEEF C=C1C=CC(=O)O[C@H]1/C=C/C=C/C 40863559 KBPTWVPQNGGLGO-POOPIXKXSA-N 176.215 2.157 30 1 AEEF C#CC(C)(C#C)c1ccccc1 86051955 OVVLODSLGRGWFA-UHFFFAOYSA-N 154.212 2.211 30 1 AEEF C=CCC[C@@]1(C)SC(=O)[C@@H](C)C1=O 169719213 SYTASIWJJGUMGJ-OIBJUYFYSA-N 198.287 2.190 30 1 AEEF C=C(C)C1=CC=C(C(=O)O)CC1 205207755 IFLOYODPYGARDU-UHFFFAOYSA-N 164.204 2.294 30 1 AEEF CC1=CC(=O)C[C@H](C)[C@@]12CCC(=O)C2 14823479 OGDKSKNHHSXJNA-JOYOIKCWSA-N 192.258 2.281 30 1 AEEF endogenous,in-man CCCCCC1=CC(=O)C(O)=CC1=O 66101467 XVGBIZBPGCUJSH-UHFFFAOYSA-N 194.230 2.087 30 1 AEEF C[C@@H](S)S[C@@H](C)S 32163194 PAEMPWLDXSJQRU-IMJSIDKUSA-N 154.325 2.271 30 1 AEEF endogenous,in-man C=C1C(=O)O[C@H]2CC[C@H](C)CC[C@@H]12 34449475 YPNHSXBOWJTVIS-JEZHCXPESA-N 180.247 2.294 30 1 AEEF CC#CC#C/C=C/c1ccco1 137271340 NOOWZXJIDIWJKN-SOFGYWHQSA-N 156.184 2.320 30 1 AEEF C=C(C)[C@H]1CC[C@@H](C)C(=O)OC1 967808 BBKYOZJVRPOMGL-BDAKNGLRSA-N 168.236 2.152 30 1 AEEF in-vitro N#CC(C#N)SCc1ccccc1 1618081 DWLAFZZWURUUGI-UHFFFAOYSA-N 188.255 2.336 30 1 AEEF CC#CC#CC#C/C=C/c1ccco1 140024425 WCFQDNGXQCLSCK-CSKARUKUSA-N 180.206 2.323 30 1 AEEF CC#Cc1nc2cccc(F)c2[nH]1 587953431 KVCHYXRGBOJVTH-UHFFFAOYSA-N 174.178 2.073 30 1 AEEF C=C(C)C1=CC[C@](C)(O)CC1 14588442 ZAGYKNAXCCJVSM-JTQLQIEISA-N 152.237 2.424 30 1 AEEF endogenous,in-man C#CCC[C@@H]1C=C(Cl)CCO1 28821710 URAUPSBJWFKPPN-SECBINFHSA-N 170.639 2.311 30 1 AEEF C=C/C=C/C#CC#CC#C/C=C/C 85541190 KAGUESUDHDXNCN-YDFGWWAZSA-N 166.223 2.315 30 1 AEEF biogenic,in-vitro C=CC=CC=CC#CC#CC#CC 2356753471 AJWRNFIZKHPOHC-UHFFFAOYSA-N 166.223 2.315 30 1 AEEF CC(C)(C)C(=O)OC1=CC(=O)CCC1 28756674 CALGUVSKSDBEDW-UHFFFAOYSA-N 196.246 2.213 30 1 AEEF C=C(C)CCOC(=O)CC(=C)C 32214664 AYKGECXGINYBJE-UHFFFAOYSA-N 168.236 2.462 30 1 AEEF O=C(C=CO)CCc1ccccc1 2356315917 XRQGGSJAMNOJQI-UHFFFAOYSA-N 176.215 2.260 30 1 AEEF CC1=C2CCC(=O)C[C@H](C)[C@@H]2CC1=O 14615351 YHSGXZITHLPVHN-CPCISQLKSA-N 192.258 2.281 30 1 AEEF [O-][N+]#CCc1ccccc1 34080099 WWXJRGBVPANOIB-UHFFFAOYSA-N 133.150 2.060 30 1 AEEF in-vitro CC#Cc1nc2cc(C)c(F)cc2[nH]1 587953698 PJEDYVCSJBCFDS-UHFFFAOYSA-N 188.205 2.382 30 1 AEEF C=C1C=C[C@H](C(C)C)C[C@H]1[N+](=O)[O-] 14614124 VJPVONZUZIQQIH-VHSXEESVSA-N 181.235 2.420 30 1 AEEF endogenous,in-man C=CC[N+](C)(C)c1cccc(O)c1 13586869 HACXKEPOUOHQGM-UHFFFAOYSA-O 178.255 2.145 30 1 AEEF CCCC=CC(=O)CC 2356312765 JPTOCTSNXXKSSN-UHFFFAOYSA-N 126.199 2.322 30 1 AEEF CC1(C)[C@H](C#N)C1(Cl)Cl 103186926 YSQVCSWVMCTQEM-BYPYZUCNSA-N 164.035 2.340 30 1 AEEF C=C1[C@H]2C[C@@H](C[C@@H]2CO)C1(C)C 2356775338 KHOKUVVUWPENMI-OPRDCNLKSA-N 166.264 2.217 30 1 AEEF C=C1[C@H]2CC[C@](C=O)([C@@H]2OC)C1(C)C 85546624 LDMLBMTXQQQRGS-FOGDFJRCSA-N 194.274 2.193 30 1 AEEF biogenic,in-vitro C=CCN1C=CC(=CN=O)C=C1 197959759 OVEYDNBQJOBORW-UHFFFAOYSA-N 162.192 2.166 30 1 AEEF C=C/C=C\C#CC#CC#C/C=C\C 95919125 KAGUESUDHDXNCN-PEPZGXQESA-N 166.223 2.315 30 1 AEEF biogenic,in-vitro C[S@](=O)CCCCCCCC#N 238770734 VRYSUGWFYFXWLB-LBPRGKRZSA-N 187.308 2.229 30 1 AEEF in-vitro C=CC(=C)CC=CC(C)(C)O 2356564417 NOEQSPUVXRMJBW-UHFFFAOYSA-N 152.237 2.446 30 1 AEEF C=C1C[C@@]23CC=CC[C@@]2(CNC3)C1 299827808 IAOTWDIBROTWOP-TXEJJXNPSA-N 175.275 2.262 30 1 AEEF CC/C=C/[C@]1(C)SC(=O)C=C1O 101124697 CFSQLTVSOWPOHH-MOVJSRMASA-N 184.260 2.427 30 1 AEEF C[C@]1(O)CCC[C@@]2(C)C=CC(=O)C[C@@H]12 14511908 BTWZGMFHNDKCCE-WOPDTQHZSA-N 194.274 2.073 30 1 AEEF C[C@@H](S)S[C@H](C)S 32163196 PAEMPWLDXSJQRU-ZXZARUISSA-N 154.325 2.271 30 1 AEEF endogenous,in-man C=C1C[C@@]2(C[C@H]3CC[C@H]2C3)OC1=O 253633799 NNVWGBFEXBVTQH-QXEWZRGKSA-N 178.231 2.048 30 1 AEEF S=C/C=N/c1ccccc1 85531502 AUOICDSHGBLMFV-RMKNXTFCSA-N 149.218 2.389 30 1 AEEF biogenic,in-vitro C=C(C)/C=C\[C@H]1C[C@H](C)C(=O)O1 13462979 VOJBXZDIFIJUKD-NSVKDGAOSA-N 166.220 2.070 30 1 AEEF endogenous,in-man CC1=CC(=O)C[C@@]2(C)CCC(=O)C=C12 2356572861 QOGAOZMNHRUYIJ-GFCCVEGCSA-N 190.242 2.201 30 1 AEEF C=C[C@@H](C)C=C[C@@H](O)C(C)C 2356667615 XYZNSCZGYWUITB-NXEZZACHSA-N 154.253 2.382 30 1 AEEF Cc1ccc(C#Cc2ncccn2)cc1 40973352 WRORRSAZXXGHSQ-UHFFFAOYSA-N 194.237 2.185 30 1 AEEF O=C1C=CN2c3ccccc3CC[C@H]2C1 13813820 LNTWPSKEEYNUKK-NSHDSACASA-N 199.253 2.294 30 1 AEEF in-vivo CC=CC#CC#CC=C[C@H](O)CCC 2356511311 GEENZQOWBUUIOA-CYBMUJFWSA-N 188.270 2.287 30 1 AEEF C=CC[C@@H]1[C@@H](COC(C)=O)C1(C)C 2356787371 UVQOBCBQCOVBIV-NXEZZACHSA-N 182.263 2.398 30 1 AEEF CO[C@H](C)C1=CC=C(/C=N/O)CC1 28246239 LHQPVZOJULFHKB-XAPLUZPNSA-N 181.235 2.128 30 1 AEEF C#C[C@@H]1c2ccccc2CCN1CC=C 199736265 XUPOCKIJSNSWTE-CQSZACIVSA-N 197.281 2.405 30 3 AEEF CC#CC#C/C=C\C=C/C=C/CCO 14771956 CNMWTIVSNRLOLQ-ZUHOWUEJSA-N 186.254 2.064 30 1 AEEF endogenous,in-man C=C[C@@H](C)C=C[C@H](O)C(C)C 2356667620 XYZNSCZGYWUITB-ZJUUUORDSA-N 154.253 2.382 30 1 AEEF CC#CC(=O)C=Cc1ccccc1 2356560799 GNWGSNAZSBIJDY-UHFFFAOYSA-N 170.211 2.292 30 1 AEEF CC/C(C)=C1\CC[C@H](CN(C)C)C1=O 1626177 JDFJWHJOLFCREU-OYVNLZQHSA-N 195.306 2.254 30 1 AEEF C=CCn1nc2ccccc2c1OC 36384214 IKLDNPLDGPPNEV-UHFFFAOYSA-N 188.230 2.231 30 3 AEEF C[C@@H]1CC=C(/C=N/O)CC1 26842123 KVSAALNEABNKAC-TUOMEMKJSA-N 139.198 2.193 30 1 AEEF CC#CC#CC=Cc1ccco1 2356425544 NOOWZXJIDIWJKN-UHFFFAOYSA-N 156.184 2.320 30 1 AEEF C=C(C)[C@@H](C)N(O)c1cc(C)on1 73141954 PPIAIVXKCAEASZ-MRVPVSSYSA-N 182.223 2.143 30 1 AEEF CC#CC#CC=CC=CC=CCCO 2356504727 CNMWTIVSNRLOLQ-UHFFFAOYSA-N 186.254 2.064 30 1 AEEF C#CCN(C)CC(=C)c1ccsc1 299844689 RYNAHYHEZWANJP-UHFFFAOYSA-N 191.299 2.326 30 1 AEEF CC#CC#CC#C/C=C\CCC(=O)CC 5575003 FPCUXOLBEQHUKP-KHPPLWFESA-N 198.265 2.332 30 1 AEEF biogenic,in-vitro C=C/C(C)=C/C#CC#CC#CC#CC 238757028 CLSSFHHVZMMLCA-BUHFOSPRSA-N 178.234 2.152 30 1 AEEF C=C(C)C=C[C@H]1C[C@@H](C)C(=O)O1 2356599347 VOJBXZDIFIJUKD-BDAKNGLRSA-N 166.220 2.070 30 1 AEEF C=CC[N+](C)(C)c1ccccc1O 27451 NBCQROXLJLVMLS-UHFFFAOYSA-O 178.255 2.145 30 1 AEEF CC#CC#CC#C/C=C\C=C/C 238735352 ZKHQCSYGZNSXAT-XORISBCWSA-N 154.212 2.149 30 1 AEEF CCC=CC=CC#CC#CC=CCO 2356404838 YCXSBVALLBAGMY-UHFFFAOYSA-N 186.254 2.064 30 1 AEEF C=C[C@H](C)C=C[C@@H](O)C(C)C 2356667618 XYZNSCZGYWUITB-VHSXEESVSA-N 154.253 2.382 30 1 AEEF CC1=CC[C@@H]2C(C)(C)[C@@]23O[C@H]13 238766433 OOMNRJSJIJYWGT-NQMVMOMDSA-N 150.221 2.130 30 1 AEEF C=C[C@@](C)(O)Cc1cc(C)co1 34479073 WCTXPCHGTVGRON-SNVBAGLBSA-N 166.220 2.068 30 1 AEEF CC(C)/C=C1\CC[C@@H](CN(C)C)C1=O 1625806 NDYFREKJASARRR-HUYFXPKMSA-N 195.306 2.110 30 1 AEEF C/C=C/C=C/C#C/C=C/COC(C)=O 238759305 GKUKTHQBDFSPNV-UFLWDRGUSA-N 190.242 2.241 30 1 AEEF CC1=CC[C@@H]2C(C)(C)[C@]23O[C@@H]13 2356604043 OOMNRJSJIJYWGT-WEDXCCLWSA-N 150.221 2.130 30 1 AEEF N#Cc1ccc(=O)c2ccccc2c1 169352511 XPGMCEAOWJBCNN-UHFFFAOYSA-N 181.194 2.072 30 1 AEEF CCC/C=C1\CC[C@H](CN(C)C)C1=O 1631981 SOXCMVNDOCGHOP-CDCCAWJDSA-N 195.306 2.254 30 1 AEEF